[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate

C27H33N3O5 — CID 24600763

IUPAC[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C27H33N3O5/c31-25(18-35-26(32)22-3-4-24(28-16-22)29-5-8-33-9-6-29)30(17-23-2-1-7-34-23)27-13-19-10-20(14-27)12-21(11-19)15-27/h1-4,7,16,19-21H,5-6,8-15,17-18H2
InChIKeyIFWOYTSPYVMBIQ-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.67
Rot. Bonds7

About [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate

[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 24600763) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID24600763
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC Name[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C27H33N3O5/c31-25(18-35-26(32)22-3-4-24(28-16-22)29-5-8-33-9-6-29)30(17-23-2-1-7-34-23)27-13-19-10-20(14-27)12-21(11-19)15-27/h1-4,7,16,19-21H,5-6,8-15,17-18H2
InChIKeyIFWOYTSPYVMBIQ-UHFFFAOYSA-N
XLogP3.67
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 8018181
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-methoxybenzoate
CID 7985871
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549131
N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18275406
[2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600773
[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600768
[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 16581154
N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
CID 7704846
1-ethyl-1-(furan-2-ylmethyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 38285701
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140190
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140205
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 16603556

Frequently Asked Questions

What is the IUPAC name of [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (CID 24600763) is [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is O=C(OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is IFWOYTSPYVMBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c31-25(18-35-26(32)22-3-4-24(28-16-22)29-5-8-33-9-6-29)30(17-23-2-1-7-34-23)27-13-19-10-20(14-27)12-21(11-19)15-27/h1-4,7,16,19-21H,5-6,8-15,17-18H2.
What are the key properties of [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 479.58 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 24600763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).